2-[(2-chlorophenyl)methyl]cyclohexane-1-carboxylic acid

C14H17ClO2 — CID 81008869

IUPAC2-[(2-chlorophenyl)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1Cc1ccccc1Cl
InChIInChI=1S/C14H17ClO2/c15-13-8-4-2-6-11(13)9-10-5-1-3-7-12(10)14(16)17/h2,4,6,8,10,12H,1,3,5,7,9H2,(H,16,17)
InChIKeyNMKXHVKKPUUHSZ-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.77
Rot. Bonds3

About 2-[(2-chlorophenyl)methyl]cyclohexane-1-carboxylic acid

2-[(2-chlorophenyl)methyl]cyclohexane-1-carboxylic acid (PubChem CID 81008869) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]cyclohexane-1-carboxylic acid
PubChem CID81008869
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name2-[(2-chlorophenyl)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1Cc1ccccc1Cl
InChIInChI=1S/C14H17ClO2/c15-13-8-4-2-6-11(13)9-10-5-1-3-7-12(10)14(16)17/h2,4,6,8,10,12H,1,3,5,7,9H2,(H,16,17)
InChIKeyNMKXHVKKPUUHSZ-UHFFFAOYSA-N
XLogP3.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chlorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 81020551
cis-(1R,2S)-2-benzylcyclohexane-1-carboxylic acid
CID 71363465
2-[(2-chloro-4-methylphenyl)methyl]cyclopentane-1-carboxylic acid
CID 106870913
2-[(2,3-difluorophenyl)methyl]cyclohexane-1-carboxylic acid
CID 81009415
2-[[2-(2-chlorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64812051
2-(quinolin-4-ylmethyl)cyclohexane-1-carboxylic acid
CID 81007961
2-[(4-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxylic acid
CID 114862572
1-chloro-2-(cyclohexylmethyl)benzene
CID 54348768
6-[(2-chlorophenyl)methyl]-1,2,3,4,5,5a,6,7,8,9-decahydropyrido[1,2-b]diazepine
CID 150017588
(2R,3R)-1-[(2-chlorophenyl)methyl]-2-methylpiperidine-3-carboxylic acid
CID 122124676
N-[[2-[(2-chlorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 81023868
2-(2-chlorophenyl)-1-cycloheptylethanone
CID 55091340

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-chlorophenyl)methyl]cyclohexane-1-carboxylic acid (CID 81008869) is 2-[(2-chlorophenyl)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is NMKXHVKKPUUHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c15-13-8-4-2-6-11(13)9-10-5-1-3-7-12(10)14(16)17/h2,4,6,8,10,12H,1,3,5,7,9H2,(H,16,17).
What are the key properties of 2-[(2-chlorophenyl)methyl]cyclohexane-1-carboxylic acid?
2-[(2-chlorophenyl)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 252.74 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 81008869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).